9MS5
 
 | | Crystal structure of an expansin (Ss_EXLX1) from Streptomyces sp. | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peptidoglycan-binding domain-containing protein, ... | | Authors: | Smith, C.A, Buchko, G.W, Momeni, M.H, Master, E.R. | | Deposit date: | 2025-01-09 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Insights into the action of phylogenetically diverse microbial expansins
To Be Published
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9MS7
 | | Crystal structure of a putative phage endolysin identified from a metagenomic survey of Prosser, Washington soil (PWe2) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Smith, C.A, Buchko, G.W, Wu, R, Cort, J.R. | | Deposit date: | 2025-01-09 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of two phage endolysins identified from a metagenomic survey of south-central Washington soil
To Be Published
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5Y5M
 | | SFX structure of cytochrome P450nor: a complete dark data without pump laser (resting state) | | Descriptor: | NADP nitrous oxide-forming nitric oxide reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. | | Deposit date: | 2017-08-09 | | Release date: | 2018-08-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
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6R3V
 | | Crystal Structure of RhoA-GDP-Pi in Complex with RhoGAP | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Jin, Y. | | Deposit date: | 2019-03-21 | | Release date: | 2019-05-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A GAP-GTPase-GDP-PiIntermediate Crystal Structure Analyzed by DFT Shows GTP Hydrolysis Involves Serial Proton Transfers.
Chemistry, 25, 2019
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9LSW
 | | Crystal structure of the calcium-free mRFP1 with a grafted calcium-binding sequence | | Descriptor: | Red fluorescent protein,grafted calcium-binding sequence | | Authors: | Uehara, R, Kamiya, Y, Maeda, S, Okamoto, K, Toya, S, Chiba, R, Amesaka, H, Takano, K, Matsumura, H, Tanaka, S.-i. | | Deposit date: | 2025-02-05 | | Release date: | 2025-06-04 | | Last modified: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Enhanced secretion through type 1 secretion system by grafting a calcium-binding sequence to modify the folding of cargo proteins.
Protein Sci., 34, 2025
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9BU4
 | | Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor | | Descriptor: | 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10 | | Authors: | Manjula, R, Bennett, A.M, Lolis, E. | | Deposit date: | 2024-05-16 | | Release date: | 2025-05-28 | | Last modified: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Dynamic and structural insights into allosteric regulation on MKP5 a dual-specificity phosphatase.
Nat Commun, 16, 2025
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5FIF
 | | Carboxyltransferase domain of a single-chain bacterial carboxylase | | Descriptor: | 1,2-ETHANEDIOL, Carboxylase | | Authors: | Hagmann, A, Hunkeler, M, Stuttfeld, E, Maier, T. | | Deposit date: | 2015-12-23 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.494 Å) | | Cite: | Hybrid Structure of a Dynamic Single-Chain Carboxylase from Deinococcus radiodurans.
Structure, 24, 2016
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8SK8
 | | human liver mitochondrial Glutamate dehydrogenase 1 | | Descriptor: | Glutamate dehydrogenase 1, mitochondrial | | Authors: | Zhang, Z, Tringides, M. | | Deposit date: | 2023-04-18 | | Release date: | 2024-02-21 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.31 Å) | | Cite: | High-Resolution Structural Proteomics of Mitochondria Using the 'Build and Retrieve' Methodology.
Mol.Cell Proteomics, 22, 2023
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8SNI
 | | Hydroxynitrile Lyase from Hevea brasiliensis with Forty Mutations | | Descriptor: | (S)-hydroxynitrile lyase, 1,2-ETHANEDIOL, PROLINE, ... | | Authors: | Walsh, M.E, Greenberg, L.R, Kazlauskas, R.J, Pierce, C.T, Aihara, H, Evans, R.L, Shi, K, Tan, P. | | Deposit date: | 2023-04-27 | | Release date: | 2024-02-28 | | Last modified: | 2025-09-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal structures of 40- and 71-substitution variants of hydroxynitrile lyase from rubber tree.
Acta Crystallogr D Struct Biol, 81, 2025
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6XKX
 | | R. capsulatus CIII2CIV tripartite super-complex, conformation A (SC-1A) | | Descriptor: | COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoP,Cytochrome c-type cyt cy, Cytochrome b, ... | | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | | Deposit date: | 2020-06-27 | | Release date: | 2020-12-30 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
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8TUF
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8UEA
 | | Crystal structure of SARS-CoV-2 3CL protease with inhibitor 29 | | Descriptor: | 1,2-ETHANEDIOL, 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[3-(pyridin-3-yl)propyl]amino}butan-2-yl]-D-phenylalaninamide, 3C-like proteinase nsp5, ... | | Authors: | Forouhar, F, Liu, H, Zack, A, Iketani, S, Williams, A, Vaz, D.R, Habashi, D.L, Choi, K, Resnick, S.J, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2023-09-30 | | Release date: | 2025-01-01 | | Last modified: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Development of small molecule non-covalent coronavirus 3CL protease inhibitors from DNA-encoded chemical library screening.
Nat Commun, 16, 2025
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8UEB
 | | Crystal structure of SARS-CoV-2 3CL protease with inhibitor 30 | | Descriptor: | 1,2-ETHANEDIOL, 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-oxo-4-{[3-(pyridin-4-yl)propyl]amino}butan-2-yl]-D-phenylalaninamide, 3C-like proteinase nsp5, ... | | Authors: | Forouhar, F, Liu, H, Zack, A, Iketani, S, Williams, A, Vaz, D.R, Habashi, D.L, Choi, K, Resnick, S.J, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2023-09-30 | | Release date: | 2025-01-01 | | Last modified: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Development of small molecule non-covalent coronavirus 3CL protease inhibitors from DNA-encoded chemical library screening.
Nat Commun, 16, 2025
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8UDM
 | | Crystal structure of SARS-CoV-2 3CL protease with inhibitor 16 | | Descriptor: | 1,2-ETHANEDIOL, 2-cyano-D-phenylalanyl-N-[(2S)-4-({3-[(5-amino-4H-1,2,4-triazol-3-yl)amino]propyl}amino)-1-(4-fluorophenyl)-4-oxobutan-2-yl]-2,4-dichloro-D-phenylalaninamide, 3C-like proteinase nsp5 | | Authors: | Forouhar, F, Liu, H, Zack, A, Iketani, S, Williams, A, Vaz, D.R, Habashi, D.L, Resnick, S.J, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2023-09-28 | | Release date: | 2025-01-01 | | Last modified: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Development of small molecule non-covalent coronavirus 3CL protease inhibitors from DNA-encoded chemical library screening.
Nat Commun, 16, 2025
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5Y5L
 | | Time-resolved SFX structure of cytochrome P450nor: dark-2 data in the absence of NADH (resting state) | | Descriptor: | NADP nitrous oxide-forming nitric oxide reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. | | Deposit date: | 2017-08-09 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
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7RMT
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-70 | | Descriptor: | 2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-07-28 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
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8SAG
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7ZS8
 | | Mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae at 1.4 Angstrom resolution | | Descriptor: | CALCIUM ION, Cytochrome-c peroxidase, HEME C, ... | | Authors: | Carvalho, A.L, Romao, M.J, Pauleta, S, Nobrega, C. | | Deposit date: | 2022-05-06 | | Release date: | 2023-04-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Characterization of Neisseria gonorrhoeae Bacterial Peroxidase-Insights into the Catalytic Cycle of Bacterial Peroxidases.
Int J Mol Sci, 24, 2023
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5YI6
 | | CRISPR associated protein Cas6 | | Descriptor: | CRISPR-associated endoribonuclease Cas6 1, GLYCEROL, PHOSPHATE ION | | Authors: | Ko, T.P, Hsieh, T.J, Chen, Y. | | Deposit date: | 2017-10-03 | | Release date: | 2018-09-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.852 Å) | | Cite: | Expression, Purification, Crystallization, and X-ray Structural Analysis of CRISPR-Associated Protein Cas6 from Methanocaldococcus jannaschii
Crystals, 7, 2018
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8SAF
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8UWV
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9CLC
 | | Crystal structure of maltose binding protein (Apo), mutant Trp10 to 4-Cyanotryptophan | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Habel, E, Frkic, R.L, Jackson, C.J, Huber, T, Otting, G. | | Deposit date: | 2024-07-10 | | Release date: | 2024-12-18 | | Last modified: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Rendering Proteins Fluorescent Inconspicuously: Genetically Encoded 4-Cyanotryptophan Conserves Their Structure and Enables the Detection of Ligand Binding Sites.
Angew.Chem.Int.Ed.Engl., 64, 2025
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8WNI
 | | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Val | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Guo, Y, Li, S, Zhang, T. | | Deposit date: | 2023-10-06 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
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4XO6
 | | Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one | | Descriptor: | (3Beta,5alpha)-3-Hydroxyandrostan-17-one, 1,2-ETHANEDIOL, 5ALPHA-ANDROSTAN-3,17-DIONE, ... | | Authors: | Zhang, B, Hu, X.-J, Lin, S.-X. | | Deposit date: | 2015-01-16 | | Release date: | 2016-02-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Human 3 alpha-hydroxysteroid dehydrogenase type 3: structural clues of 5 alpha-DHT reverse binding and enzyme down-regulation decreasing MCF7 cell growth.
Biochem.J., 473, 2016
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8V7U
 | | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784 | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, DIMETHYL SULFOXIDE, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-12-04 | | Release date: | 2023-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784
To Be Published
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